资 源 简 介
A collection of utilities and tools to run QMC codes released under GPL v2.
2012-07-16
QE 4.2. with pw2qmcpack.x PP tool
pw2qmcpack.x : a utility to generate ESHDF file that can be used by QMCPACK
svn co http://qmctools.googlecode.com/svn/dft/espresso-4.2/
It is a fork of QE 4.2. See how to compile and build at wiki.
Tools to handle PPs and wavefunctions
wfconv/ppconvert are now available as a package and can be download by subversion as:
svn co http://qmctools.googlecode.com/svn/trunk/wfconvert
The distribution includes blitz header files and Common library. It uses the same build system based on cmake and needs these libraries to compile the tools
* libxml2
* hdf5
* fftw3
Change: einspline is included with the distribution and there is no need to build the library separately.
With XYZ_HOME, simply run
